6-Methoxy-5-quinolinecarbonitrile
TL;DR: 6-Methoxy-5-quinolinecarbonitrile (CAS 87299-97-6) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxyquinoline-5-carbonitrile
Also Known As: 6-methoxyquinoline-5-carbonitrile, 6-Methoxy-5-quinolinecarbonitrile, 5-Quinolinecarbonitrile, 6-methoxy-, J1.393.068F, InChI=1/C11H8N2O/c1-14-11-5-4-10-8(9(11)7-12)3-2-6-13-10/h2-6H,1H
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 87299-97-6 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)N=CC=C2)C#N |
| InChIKey | RVHKXKZYVWPOHE-UHFFFAOYSA-N |
Product Overview
6-Methoxy-5-quinolinecarbonitrile (CAS 87299-97-6), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 6-methoxyquinoline-5-carbonitrile.
Chemical Property Profile of 6-Methoxy-5-quinolinecarbonitrile
Property Insights of 6-Methoxy-5-quinolinecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-5-quinolinecarbonitrile. With a topological polar surface area (TPSA) of 45.9 Ų, 6-Methoxy-5-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-5-quinolinecarbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methoxy-5-quinolinecarbonitrile?
The CAS number of 6-Methoxy-5-quinolinecarbonitrile is 87299-97-6.
What is the molecular formula of 6-Methoxy-5-quinolinecarbonitrile?
The molecular formula of 6-Methoxy-5-quinolinecarbonitrile is C11H8N2O.
What is the molecular weight of 6-Methoxy-5-quinolinecarbonitrile?
The molecular weight of 6-Methoxy-5-quinolinecarbonitrile is 184.06 g/mol.
Where can I buy 6-Methoxy-5-quinolinecarbonitrile?
You can request a quote for 6-Methoxy-5-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-5-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-5-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.